Information card for entry 7043958

Structure parameters

• Chemical name: bis(disilenyl)thiophene
• Formula: C54 H104 S Si12
• Calculated formula: C54 H104 S Si12
• SMILES: [Si]1(=[Si](c2sc([Si](=[Si]3C([Si](C)(C)C)([Si](C)(C)C)CCC3([Si](C)(C)C)[Si](C)(C)C)c3c(cc(cc3C)C)C)cc2)c2c(cc(C)cc2C)C)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Heteroaryldisilenes: heteroaryl groups serve as electron acceptors for SiSi double bonds in intramolecular charge transfer transitions
• Authors of publication: Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.8362 ± 0.0012 Å
• b: 17.6788 ± 0.0017 Å
• c: 18.7605 ± 0.0018 Å
• α: 84.111 ± 0.001°
• β: 81.87 ± 0.001°
• γ: 89.724 ± 0.001°
• Cell volume: 3865.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No